2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-ethylpiperidine

C17H25NO2 — CID 114426180

IUPAC2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-ethylpiperidine
SMILESCCC1CCNC(CCc2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C17H25NO2/c1-2-13-7-8-18-15(11-13)5-3-14-4-6-16-17(12-14)20-10-9-19-16/h4,6,12-13,15,18H,2-3,5,7-11H2,1H3
InChIKeyGWGBHUHPAODRRS-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.17
Rot. Bonds4

About 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-ethylpiperidine

2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-ethylpiperidine (PubChem CID 114426180) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-ethylpiperidine.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-ethylpiperidine
PubChem CID114426180
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-ethylpiperidine
SMILESCCC1CCNC(CCc2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C17H25NO2/c1-2-13-7-8-18-15(11-13)5-3-14-4-6-16-17(12-14)20-10-9-19-16/h4,6,12-13,15,18H,2-3,5,7-11H2,1H3
InChIKeyGWGBHUHPAODRRS-UHFFFAOYSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-butylphenyl)ethyl]-4-ethylpiperidine
CID 114426186
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine
CID 60869539
4-ethyl-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidine
CID 114426204
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]azepane
CID 104703899
2-[2-(2,5-dichlorophenyl)ethyl]-4-ethylpiperidine
CID 114426169
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine
CID 117043729
4-ethyl-2-[2-(3-methylthiophen-2-yl)ethyl]piperidine
CID 114426164
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylcyclopentan-1-amine
CID 64501434
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 64774317
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylcyclohexan-1-amine
CID 43178290
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethylcyclohexan-1-one
CID 79417676
formamide;2-(methoxymethyl)pyrrolidine;6-nonyl-2,3-dihydro-1,4-benzodioxine
CID 143865898

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-ethylpiperidine?
The IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-ethylpiperidine (CID 114426180) is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-ethylpiperidine.
What is the SMILES notation for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-ethylpiperidine?
The canonical SMILES for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-ethylpiperidine is CCC1CCNC(CCc2ccc3c(c2)OCCO3)C1.
What is the InChIKey of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-ethylpiperidine?
The InChIKey is GWGBHUHPAODRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-13-7-8-18-15(11-13)5-3-14-4-6-16-17(12-14)20-10-9-19-16/h4,6,12-13,15,18H,2-3,5,7-11H2,1H3.
What are the key properties of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-ethylpiperidine?
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-ethylpiperidine has a molecular weight of 275.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-ethylpiperidine is sourced from PubChem (CID 114426180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).